7-methoxy-9,10-dihydrophenanthrene-1,4-dione

C15H12O3 — CID 23251755

IUPAC7-methoxy-9,10-dihydrophenanthrene-1,4-dione
SMILESCOc1ccc2c(c1)CCC1=C2C(=O)C=CC1=O
InChIInChI=1S/C15H12O3/c1-18-10-3-5-11-9(8-10)2-4-12-13(16)6-7-14(17)15(11)12/h3,5-8H,2,4H2,1H3
InChIKeyYHXMQFLCLNJAKH-UHFFFAOYSA-N
MW240.26 g/mol
LogP2.10
Rot. Bonds1

About 7-methoxy-9,10-dihydrophenanthrene-1,4-dione

7-methoxy-9,10-dihydrophenanthrene-1,4-dione (PubChem CID 23251755) has the molecular formula C15H12O3 and a molecular weight of 240.26 g/mol. Its IUPAC name is 7-methoxy-9,10-dihydrophenanthrene-1,4-dione.

Molecular Properties

Compound Name7-methoxy-9,10-dihydrophenanthrene-1,4-dione
PubChem CID23251755
Molecular FormulaC15H12O3
Molecular Weight240.26 g/mol
Exact Mass240.08
IUPAC Name7-methoxy-9,10-dihydrophenanthrene-1,4-dione
SMILESCOc1ccc2c(c1)CCC1=C2C(=O)C=CC1=O
InChIInChI=1S/C15H12O3/c1-18-10-3-5-11-9(8-10)2-4-12-13(16)6-7-14(17)15(11)12/h3,5-8H,2,4H2,1H3
InChIKeyYHXMQFLCLNJAKH-UHFFFAOYSA-N
XLogP2.10
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'chinone_1', 'substructure': 'N/A'}

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Related Compounds

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5-methoxy-N-methyl-2,3-dihydroinden-1-imine oxide
CID 11030624
(2E)-2-hydroxyimino-6-methoxy-3,4-dihydronaphthalen-1-one
CID 6412519
(3Z)-5-methoxy-3-(6-methoxy-2,3-dihydroinden-1-ylidene)-1,2-dihydroindene
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3,6-dimethoxy-10H-anthracen-9-one
CID 142018270
8-methoxy-1,4a-dimethyl-3,4,5,6,11,12-hexahydrochrysen-2-one
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5-bromo-13-methoxytricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-one
CID 59272320
7-methoxy-4,5-dihydro-1H-benzo[g]indole
CID 10535996
2-methoxy-7-(trifluoromethoxy)-9,10-dihydrophenanthrene
CID 18377970
(13S)-3-methoxy-13-methyl-7,11,12,16-tetrahydro-6H-cyclopenta[a]phenanthren-17-one
CID 1259524
6-methoxy-1-benzothiophene-2,3-dione
CID 3440848

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-9,10-dihydrophenanthrene-1,4-dione?
The IUPAC name of 7-methoxy-9,10-dihydrophenanthrene-1,4-dione (CID 23251755) is 7-methoxy-9,10-dihydrophenanthrene-1,4-dione.
What is the SMILES notation for 7-methoxy-9,10-dihydrophenanthrene-1,4-dione?
The canonical SMILES for 7-methoxy-9,10-dihydrophenanthrene-1,4-dione is COc1ccc2c(c1)CCC1=C2C(=O)C=CC1=O.
What is the InChIKey of 7-methoxy-9,10-dihydrophenanthrene-1,4-dione?
The InChIKey is YHXMQFLCLNJAKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12O3/c1-18-10-3-5-11-9(8-10)2-4-12-13(16)6-7-14(17)15(11)12/h3,5-8H,2,4H2,1H3.
What are the key properties of 7-methoxy-9,10-dihydrophenanthrene-1,4-dione?
7-methoxy-9,10-dihydrophenanthrene-1,4-dione has a molecular weight of 240.26 g/mol, XLogP of 2.10, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-9,10-dihydrophenanthrene-1,4-dione is sourced from PubChem (CID 23251755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).